| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 5th, 2004 | 10 | Yes |
Popular Name: Valproic acid Valproic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1069-66-5 , 1069-66-5, 99-66-1 , 1069-66-5, 99-66-1 [valproic acid] , 33433-82-8 , 62959-43-7 , 76584-70-8 , 99-66-1 , [1069-66-5] , [76584-70-8] , [99-66-1]
1069-66-5; D00710; Depakene (TN); Selenica (TN); Sodium valproate (JP16); Valproate sodium (USAN)
2,2-Di-n-propylacetic acid lithium salt
2,2-Di-n-propylacetic acid, 98+%
2-Propylpentanoic acid, sodium salt, 98%
2-propylvalerate; dipropylacetate
33433-82-8; Calcium valproate; Convulsofin (TN); D08667; Valproic acid calcium salt
44089; A-44090; ABBOTT 44090; ABBOTT-50711
99-66-1; C07185; Valproic acid
99-66-1; CPD000499581; SAM002564230; Valproic Acid
acide valproique; acido valproico; acidum valproicum
CHEBI:9926; CHEBI:115217; CHEBI:39858
CPD000499581; SAM002564230; Valproic acid
FDA); Sodium Valproate (JAN); Valproate Sodium (USAN
Lithium 2,2-di-n-propylacetate
Lithium 2,2-di-n-propylacetate, 97+%
USAN); Sodium Valproate (JAN); Divalproex Sodium (FDA
USP); Semisodium Valproate (BAN); Valproate Semisodium (INN)
USP); Sodium Valproate (JAN); Valproate Sodium (FDA
Valproate semisodique [French]
Valproato semisodico [Spanish]
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.80 | 6.49 | -47.15 | 0 | 2 | -1 | 40 | 143.206 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.36e+00 g/l | DrugBank-approved |
| Boiling_Point | 219-220? | Alfa-Aesar |
| Boiling_Point | 219-220° | Alfa-Aesar |
| BP [°C] | 220 | Acros Organics |
| Purity | 95% | Fluorochem |
| Purity | 97% | Fluorochem |
| Mp [°C] | >300 | Acros Organics |
| UniProt Database Links | ACDSB_BOVIN; ACDSB_HUMAN; ACDSB_MOUSE; ACDSB_PONAB; ACDSB_RAT; AFTA_CORGL; AFTA_MYCS2; AFTA_MYCTU; AFTB_CORGL; AFTB_MYCTU; AFTC_CORGL; AFTC_MYCS2; AFTC_MYCTU; AFTD_MYCS2; AFTD_MYCTU; AP1S1_SCHPO; CRTI_RHOCB; CRU1_ARATH; CRU2_ARATH; CRU3_ARATH; DPAA_BACSU | ChEBI |
| Therapy | Anticonvulsant | SMDC MicroSource |
| Patent Database Links | EP1433779; EP1547617; EP1574213; EP1591109; EP1600169; EP1602371; EP1685832; EP1719508; EP1719543; EP1743654; EP1815850; EP1832575; EP1839656; EP1839657; EP1908850; EP1930412; EP1949898; EP1949916; EP1955693; EP1955710; EP1955711; EP1990639; US2001006962 | ChEBI |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H314: Causes severe skin burns and eye damage; H318: Causes serious eye damage; H360D: May damage the unborn child | Acros Organics |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H315: Causes skin irritation; H360D: May damage the unborn child | Acros Organics |
| Target | HDAC | Selleck Chemicals |
| UniProt Database Links | INO1_HUMAN; S22A7_MOUSE | ChEBI |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : P-6059; NCC_SUPPLIER_SAMPLE_COMMENTS : CLEAR LIQUID | NIH Clinical Collection via PubChem |
| Target | Others | Selleck Chemicals |
| P phrase | P201: Obtain special instructions before use | Acros Organics |
| P phrase | P201: Obtain special instructions before use; P308 + P313: IF exposed or concerned: Get medical advice/attention; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r | Acros Organics |
| R phrase | R61: May cause harm to the unborn child. | Acros Organics |
| R phrase | R61: May cause harm to the unborn child.; R22: Harmful if swallowed.; R34: Causes burns. | Acros Organics |
| R phrase | R61: May cause harm to the unborn child.; R22: Harmful if swallowed.; R36/38: Irritating to eyes and skin. | Acros Organics |
| S phrase | S53: Avoid exposure - obtain special instructions before use. | Acros Organics |
| S phrase | S53: Avoid exposure - obtain special instructions before use.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case | Acros Organics |
| S phrase | S53: Avoid exposure - obtain special instructions before use.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection.; S45: In case of accident or if you fe | Acros Organics |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: P-6059; SUPPLIER_COMMENTS: CLEAR LIQUID | NIH Clinical Collection via PubChem |
| Hazard | T: Toxic | Acros Organics |
